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CAS No.: | 69164-27-8 |
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Name: | Benzo[h][1,6]naphthyridine-5-carbaldehyde |
Molecular Structure: | |
Formula: | C13H8N2O |
Molecular Weight: | 208.219 |
Synonyms: | Benzo[h]-1,6-naphthyridine-5-carboxaldehyde;IFLAB-BB F1371-0149; |
Density: | 1.336 g/cm3 |
Melting Point: | 144 °C |
Boiling Point: | 436.1 °C at 760 mmHg |
Flash Point: | 218.2 °C |
PSA: | 42.85000 |
LogP: | 2.59550 |
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This chemical's CAS registry number is 69164-27-8 and it also known as Benzo[h]-1,6-naphthyridine-5-carboxaldehyde. This chemical's molecular formula is C13H8N2O and molecular weight is 208.22. What's more, both the product name and systematic name are the same which is called Benzo[h][1,6]naphthyridine-5-carbaldehyde.
Physical properties about Benzo[h][1,6]naphthyridine-5-carbaldehyde are: (1)ACD/LogP: 1.86; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 42.85 Å2; (7)Index of Refraction: 1.772; (8)Molar Refractivity: 64.87 cm3; (9)Molar Volume: 155.7 cm3; (10)Polarizability: 25.71×10-24 cm3; (11)Surface Tension: 68.5 dyne/cm; (12)Density: 1.336 g/cm3; (13)Flash Point: 218.2 °C; (14)Enthalpy of Vaporization: 69.25 kJ/mol; (15)Boiling Point: 436.1 °C at 760 mmHg; (16)Vapour Pressure: 8.28E-08 mmHg at 25 °C; (17)Melting Point: 144 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2nc3c(c1ncccc12)cccc3
(2) InChI: InChI=1/C13H8N2O/c16-8-12-10-5-3-7-14-13(10)9-4-1-2-6-11(9)15-12/h1-8H
(3) InChIKey: PNCCXVYVMZWAQH-UHFFFAOYAW